8-nitroquinoxalin-2(1H)-one
Basic information
- CAS
73148-21-7- Standard SMILES
O=c1cnc2cccc([N+](=O)[O-])c2[nH]1- InChIKey
QHXOJSHQYLLSHR-UHFFFAOYSA-N- Molecular formula
- C8H5N3O3
- Average molar mass
- 191.14 g/mol
- Monoisotopic mass
- 191.03309103
Names & identifiers
- Preferred name
- 8-nitroquinoxalin-2(1H)-one
- IUPAC
- 8-nitro-1H-quinoxalin-2-one
- English name
- 8-Nitroquinoxalin-2(1H)-one
- Molecular formula
- C8H5N3O3
- Molecular weight
- 191.14
Names & synonyms
2(1H)-quinoxalinone, 8-nitro-DTXSID60348773RefChem:312242DTXCID9029984573148-21-78-nitroquinoxalin-2(1H)-oneInChI=1/C8H5N3O3/c12-7-4-9-5-2-1-3-6(11(13)14)8(5)10-7/h1-4H,(H,10,128-nitro-1H-quinoxalin-2-one8-nitroquinoxalin-2-oneSCHEMBL4518440CHEMBL4167821SCHEMBL21638318
Show more names
QHXOJSHQYLLSHR-UHFFFAOYSA-NAKOS016001758
Database identifiers
- CAS
73148-21-7- PubChem CID
- 640606
- DTXSID
DTXSID60348773- ChEMBL
CHEMBL4167821
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.59 · 7.59±0.70(Predicted)
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Related reactions
1 records
Compound notes
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